2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Base Information

Chemical Name:2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CAS No.:55817-72-6
Molecular Formula:C14H15 N3
Molecular Weight:225.29
Hs Code.:2933990090
European Community (EC) Number:848-421-6
DSSTox Substance ID:DTXSID90376887
Wikidata:Q82165793
ChEMBL ID:CHEMBL4126469

Synonyms:2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile;55817-72-6;2-amino-1-benzyl-4,5-dimethylpyrrole-3-carbonitrile;SCHEMBL8089697;CHEMBL4126469;DTXSID90376887;MFCD01935932;STK689793;AKOS005069227;10L-318S;CS-0230597;FT-0679939;Methyl4-benzyl-2-phenyloxazole-5-carboxylate;EN300-104660;J-507737;2-amino-1-benzyl-4,5-dimethyl-1H-pyrrol-3-yl cyanide;2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile, AldrichCPR

Suppliers and Price of 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
500mg
$ 155.00

Matrix Scientific
2-Amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile >95%
1g
$ 72.00

Matrix Scientific
2-Amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile >95%
5g
$ 250.00

Crysdot
2-Amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile 95+%
10g
$ 357.00

American Custom Chemicals Corporation
2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE 95.00%
5G
$ 988.33

American Custom Chemicals Corporation
2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE 95.00%
1G
$ 671.75

American Custom Chemicals Corporation
2-AMINO-1-BENZYL-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE 95.00%
500MG
$ 646.22

Alichem
2-Amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
10g
$ 400.00

Total 13 raw suppliers

Chemical Property of 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Chemical Property:

Vapor Pressure:1.05E-07mmHg at 25°C
Melting Point:152-155°C
Boiling Point:433.1°Cat760mmHg
Flash Point:215.7°C
PSA：54.74000
Density:1.1g/cm³
LogP:3.18828
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:225.126597491
Heavy Atom Count:17
Complexity:300

Purity/Quality:

98%min ^*data from raw suppliers

2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25-36
Safety Statements: 26-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(N(C(=C1C#N)N)CC2=CC=CC=C2)C

Technology Process of 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

There total 5 articles about 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 36.0%

: 513-86-0,52217-02-4,51555-24-9
3-hydroxy-2-butanon

: 100-46-9
benzylamine

: 109-77-3
malononitrile

: 55817-72-6
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Guidance literature:: 3-hydroxy-2-butanon; benzylamine; With hydrogenchloride; In toluene; for 6h; Dean-Stark; Reflux;

malononitrile; In toluene; for 18h; Reflux; Dean-Stark;
DOI:10.1021/acs.jmedchem.7b01290